ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate

C14H17N5O4S — CID 2632750

IUPACethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1OCC
InChIInChI=1S/C14H17N5O4S/c1-3-22-11-8-6-5-7-10(11)19-13(16-17-18-19)24-9-12(20)15-14(21)23-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,20,21)
InChIKeyCTVONKZDEYNJRD-UHFFFAOYSA-N
MW351.39 g/mol
LogP1.43
Rot. Bonds7

About ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate

ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate (PubChem CID 2632750) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
PubChem CID2632750
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Nameethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1OCC
InChIInChI=1S/C14H17N5O4S/c1-3-22-11-8-6-5-7-10(11)19-13(16-17-18-19)24-9-12(20)15-14(21)23-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,20,21)
InChIKeyCTVONKZDEYNJRD-UHFFFAOYSA-N
XLogP1.43
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999
ethyl 4-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]butanoate
CID 16536992
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 5036823
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16536987
N-(4-bromo-3-methylphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614116
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
ethyl 2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2613871
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306552
N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 16536997
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate?
The IUPAC name of ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate (CID 2632750) is ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate?
The canonical SMILES for ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate is CCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1OCC.
What is the InChIKey of ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate?
The InChIKey is CTVONKZDEYNJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-3-22-11-8-6-5-7-10(11)19-13(16-17-18-19)24-9-12(20)15-14(21)23-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,20,21).
What are the key properties of ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate?
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate has a molecular weight of 351.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate is sourced from PubChem (CID 2632750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).